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2-[2-fluoranyl-4-(4-octylphenyl)phenoxy]propyl 4-methylhexanoate

2-[2-fluoranyl-4-(4-octylphenyl)phenoxy]propyl 4-methylhexanoate

Systemtic Name:2-[2-fluoranyl-4-(4-octylphenyl)phenoxy]propyl 4-methylhexanoate
Openeye Name:2-[2-fluoro-4-(4-octylphenyl)phenoxy]propyl 4-methylhexanoate
CAS Name:4-methylhexanoic acid 2-[2-fluoro-4-(4-octylphenyl)phenoxy]propyl ester
IUPAC Name:2-[2-fluoro-4-(4-octylphenyl)phenoxy]propyl 4-methylhexanoate
Traditional Name:4-methylhexanoic acid 2-[2-fluoro-4-(4-octylphenyl)phenoxy]propyl ester
Formula: C30H43FO3
MolecularWeight: 470.659023
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(C)COC(=O)CCC(C)CC)F


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(C)COC(=O)CCC(C)CC)F


InChI

InChI=1S/C30H43FO3/c1-5-7-8-9-10-11-12-25-14-16-26(17-15-25)27-18-19-29(28(31)21-27)34-24(4)22-33-30(32)20-13-23(3)6-2/h14-19,21,23-24H,5-13,20,22H2,1-4H3


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